4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid

C14H25NO4 — CID 106874529

IUPAC4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C1CCCCC1OC)C1COCC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-15(11-6-4-5-7-13(11)18-2)12-9-19-8-10(12)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyADBOEOKDOKHKHK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.37
Rot. Bonds5

About 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid (PubChem CID 106874529) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
PubChem CID106874529
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C1CCCCC1OC)C1COCC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-15(11-6-4-5-7-13(11)18-2)12-9-19-8-10(12)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyADBOEOKDOKHKHK-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
CID 79863742
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[cyclohex-2-en-1-yl(ethyl)amino]oxolane-3-carboxylic acid
CID 114620459
4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 66247310
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid
CID 66247666
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid (CID 106874529) is 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid is CCN(C1CCCCC1OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ADBOEOKDOKHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-15(11-6-4-5-7-13(11)18-2)12-9-19-8-10(12)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106874529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).